CID 12461742

Akos015905479

Structural Information

Molecular Formula
C7H9N5
SMILES
CN1C=NC2=C1N(C=NC2=N)C
InChI
InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3
InChIKey
YXTNRNJPEDJTNF-UHFFFAOYSA-N
Compound name
3,9-dimethylpurin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 132.5
[M+Na]+ 186.07502 145.7
[M-H]- 162.07852 133.3
[M+NH4]+ 181.11962 151.3
[M+K]+ 202.04896 141.9
[M+H-H2O]+ 146.08306 124.5
[M+HCOO]- 208.08400 155.7
[M+CH3COO]- 222.09965 146.7
[M+Na-2H]- 184.06047 141.3
[M]+ 163.08525 134.6
[M]- 163.08635 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.